4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-N-(4-pyridylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-N-(4-pyridylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide Formula: C25H20ClF3N4O2 MolecularWeight: 500.90011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=CC(=CC3=NC=C2C(=O)NCC4=CC=NC=C4)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=CC(=CC3=NC=C2C(=O)NCC4=CC=NC=C4)C(F)(F)F)Cl

InChI

InChI=1S/C25H20ClF3N4O2/c1-35-22-5-2-16(10-20(22)26)13-32-23-18-4-3-17(25(27,28)29)11-21(18)31-14-19(23)24(34)33-12-15-6-8-30-9-7-15/h2-11,14H,12-13H2,1H3,(H,31,32)(H,33,34)